2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide

C16H19Cl4N3O2 — CID 86854756

IUPAC2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
SMILESCC(=O)NCC1CCCN(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)C1
InChIInChI=1S/C16H19Cl4N3O2/c1-9(24)21-6-10-3-2-4-23(7-10)8-13(25)22-16-14(19)11(17)5-12(18)15(16)20/h5,10H,2-4,6-8H2,1H3,(H,21,24)(H,22,25)
InChIKeyJZWGWFMMCMMRDC-UHFFFAOYSA-N
MW427.16 g/mol
LogP4.09
Rot. Bonds5

About 2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide

2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide (PubChem CID 86854756) has the molecular formula C16H19Cl4N3O2 and a molecular weight of 427.16 g/mol. Its IUPAC name is 2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
PubChem CID86854756
Molecular FormulaC16H19Cl4N3O2
Molecular Weight427.16 g/mol
Exact Mass425.02
IUPAC Name2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
SMILESCC(=O)NCC1CCCN(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)C1
InChIInChI=1S/C16H19Cl4N3O2/c1-9(24)21-6-10-3-2-4-23(7-10)8-13(25)22-16-14(19)11(17)5-12(18)15(16)20/h5,10H,2-4,6-8H2,1H3,(H,21,24)(H,22,25)
InChIKeyJZWGWFMMCMMRDC-UHFFFAOYSA-N
XLogP4.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.16
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 60642327
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 60510321
2-[[2-[3-(acetamidomethyl)piperidin-1-yl]acetyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 86854742
2-(3,5-dimethylpiperidin-1-yl)-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 55353545
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-chloro-4,6-dimethylphenyl)acetamide;hydrochloride
CID 119915863
N-(2-amino-4,6-dichlorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43590065
N-(3-chloro-4-fluorophenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914724
N-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]acetamide
CID 95187387
N-[[(3S)-1-(2,2-dimethylpropyl)piperidin-3-yl]methyl]acetamide
CID 58877734
2-[(3R)-3-aminopiperidin-1-yl]-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 102977279
N-(3-chloro-2-methylphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914494

Frequently Asked Questions

What is the IUPAC name of 2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The IUPAC name of 2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide (CID 86854756) is 2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide.
What is the SMILES notation for 2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The canonical SMILES for 2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide is CC(=O)NCC1CCCN(CC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)C1.
What is the InChIKey of 2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The InChIKey is JZWGWFMMCMMRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl4N3O2/c1-9(24)21-6-10-3-2-4-23(7-10)8-13(25)22-16-14(19)11(17)5-12(18)15(16)20/h5,10H,2-4,6-8H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide has a molecular weight of 427.16 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(acetamidomethyl)piperidin-1-yl]-N-(2,3,5,6-tetrachlorophenyl)acetamide is sourced from PubChem (CID 86854756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).